Geometry & MOs

Info

ID:	120582
PubChem CID:	50735625
Reduced:	ClO5N6C32H41 (1)
Stoich.:	AB5C6D32E41 (1)
Weight, g/mol:	500.1423
ΔH_f, kcal/mol:	-219.43
Dipole, Da:	3.58
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C(=O)NC2CCCCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations